Compound Detail
CHEMBL5815328
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COc1cccc(CCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL5815328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKLIIDWOMMJUOM-DOBADDLBSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
592.8
MW (Da)
3.87
ALogP
7
HBA
3
HBD
120.9
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor CHEMBL3108660 | IC50 | 6.46 | 6.36 | 349.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.46 | 6.36 | 349.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| von Hippel-Lindau disease tumor suppressor | IC50 | = | 349.0 | nM | 6.46 | Fluorescence Polarization Assay (10% DMSO): Ability of VHL ligands to compete fo... | - |
| Unchecked | IC50 | = | 349.0 | nM | 6.46 | Fluorescence Polarization Assay (10% in DMSO): Ability of VHL ligands to compete... | - |
| von Hippel-Lindau disease tumor suppressor | IC50 | = | 550.0 | nM | 6.26 | Fluorescence Polarization Assay (1% DMSO): Ability of VHL ligands to compete for... | - |
| Unchecked | IC50 | = | 550.0 | nM | 6.26 | Fluorescence Polarization Assay (1% in DMSO): Ability of VHL ligands to compete ... | - |
Data from ChEMBL 36 via Core Engine